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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Enhanced upconversion and photoconductive nanocomposites of lanthanide-doped nanoparticles functionalized with low-vibrational-energy inorganic ligands

Upconverting nanoparticles (UCNPs) convert near-infrared (IR) light into higher-energy visible light, allowing them to be used in applications such as biological imaging, nano-thermometry, and photodetection. It is well known that the upconversion luminescent efficiency of UCNPs can be enhanced by using a host material with low phonon energies, but the use of low-vibrational-energy inorganic ligands and non-epitaxial shells has been relatively underexplored. Here, we investigate the functionalization of lanthanide-doped NaYF4 UCNPs with low-vibrational-energy Sn2S64- ligands. Raman spectroscopy and elemental mapping are employed to confirm the binding of Sn2S64- ligands to UCNPs. This binding enhances upconversion efficiencies up to a factor of 16, consistent with an increase in the luminescent lifetimes of the lanthanide ions. Annealing Sn2S64--capped UCNPs results in the formation of a nanocomposite comprised of UCNPs embedded within an interconnected matrix of SnS2, enabling each UCNP to be electrically accessible through the semiconducting SnS2 matrix. This facilitates the integration of UCNPs into electronic devices, which we demonstrate through the fabrication of a UCNP-SnS2 photodetector that detects UV and near-IR light. Our findings show the promise of using inorganic capping agents to enhance the properties of UCNPs while facilitating their integration into optoelectronic devices.

Pan, Jia-Ahn↗
DOE OSTI2022

A cryogenic torsion balance using a liquid-cryogen free, ultra-low vibration cryostat

We describe a liquid-cryogen free cryostat with ultra-low vibration levels, which allows for continuous operation of a torsion balance at cryogenic temperatures. The apparatus uses a commercially available two-stage pulse-tube cooler and passive vibration isolation. Here, the torsion balance exhibits torque noise levels lower than room temperature thermal noise by a factor of about four in the frequency range of 3–10 mHz, limited by residual seismic motion and by radiative heating of the pendulum body. In addition to lowering thermal noise below room-temperature limits, the low-temperature environment enables novel torsion balance experiments. Currently, the maximum duration of a continuous measurement run is limited by accumulation of cryogenic surface contamination on the optical elements inside the cryostat.

47 OTHER INSTRUMENTATION↗
DOE OSTI2014

Note: Reliable low-vibration piezo-mechanical shutter

We present a mechanical shutter based on a bending piezo-actuator. The shutter features an active aperture of about 2 mm, allowing for full extinction and lossless transmission of a beam. Acoustic noise and mechanical vibrations produced are very low and the shutter is outstandingly long-lived; a test device has undergone 20 × 10{sup 6} cycles without breaking. A reflector makes the shutter capable of reliably interrupting a beam with at least 2 W of cw power at 780 nm. The shutter is well suited to create pulses as short as 16 ms, while pulse lengths down to 1 ms are possible. The rise and fall times are approximately 120 µs, with a delay of 2 ms. Jitter stays below 10 µs, while long-term drifts stay well below 500 µs.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2016

Low vibration high numerical aperture automated variable temperature Raman microscope

Raman micro-spectroscopy is well suited for studying a variety of properties and has been applied to wide- ranging areas. Combined with tuneable temperature, Raman spectra can offer even more insights into the properties of materials. However, previous designs of variable temperature Raman microscopes have made it extremely challenging to measure samples with low signal levels due to thermal and positional instability as well as low collection efficiencies. Thus, contemporary Raman microscope has found limited applicability to probing the subtle physics involved in phase transitions and hysteresis. This paper describes a new design of a closed-cycle, Raman microscope with full polarization rotation. High collection efficiency, thermal and mechanical stability are ensured by both deliberate optical, cryogenic, and mechanical design. Measurements on two samples, Bi 2 Se 3 and V 2 O 3 , which are known as challenging due to low thermal conductivities, low signal levels and/or hysteretic effects, are measured with previously undemonstrated temperature resolution.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

A high efficiency and low vibration liquid nitrogen cooling system for silicon crystal based x-ray optics

A compact low-cost cryocooling system has been designed, constructed, and tested at SLAC National Accelerator Laboratory. The cooling power is provided by natural convection and phase change of the liquid nitrogen. The initial application was to cool silicon crystal optics to the sub-100 K range. A silicon crystal of dimension (width × depth × height) 50 × 50 × 30 mm3 has been used with an electric heater on the top surface in this prototyping test. This system can effectively provide more than 80 W of cooling power to the optics with a consumption of liquid nitrogen less than 2.1 l/h. The vibration of the silicon crystal was monitored during the tests with added electric heater power on the crystal. We note the vibration of the silicon crystal due to liquid nitrogen boiling is negligible.

47 OTHER INSTRUMENTATION↗
DOE OSTI2015

Novel HPGe Probe solution for Harsh Environments

In situ measurement is a privileged way of monitoring radioactive contamination compared to analyzing samples in a distant, specialized laboratory. Scintillators based spectrometers offer small footprints and are easy to easy to use, however they do not provide an accurate nuclide identification capability and activities measurement because notably of their limited energy resolution, for instance when low minimum detectable activity (MDA) are required, or in complex mixture of sources. On the other hand, High Purity Germanium (HPGe) detectors provide unmatched nuclide identification capability with the lowest MDA but they are not always of practical use on the field because the crystal needs to be cooled down to liquid nitrogen temperature, increasing the overall weight, bulkiness and complexity of the measurement. This paper presents the configuration and performance of a novel turnkey and compact HPGe solution developed by Canberra for radionuclide identification under harsh environments. Radio-contaminations surveys now can be undertaken outdoor under various weather conditions, in contaminated areas, underground or underwater locations (including under sea water), with fast on site deployment. The spectrometer is also designed in a small diameter tubular shape to offer minimal footprint for an operation in narrow and confined spaces. Besides, this innovative design does not mitigate the performances nor the reliability experienced with standard laboratory-grade HPGe spectrometers. This achievement relies on advanced technologies such as the encapsulation of the crystal in ultra-high vacuum (UHV) which provides higher robustness and does not requires thermal cycles faced with regular HPGe equipment. It also relies on a low vibration, low consumption electrical cooler so that no liquid nitrogen is being used. The detector is connected to a state-of-the-art digital spectroscopy suite embedded in an autonomous acquisition station monitoring the cryo-cooler and including the spectroscopy software. This system presented is therefore a new solution to perform high resolution spectroscopy where no current products are compact or robust enough to be installed, for instance for soil and water decontamination measurement when anthropogenic radioactive sources must be identified from natural ones or when low contamination levels are expected, the MDA being 3 to 5 times higher than scintillator-based detectors of similar sizes. Environmental inspection such as well logging for geophysics and mining, water contamination monitoring, or decommissioning works can thus benefits from both ruggedness, mobility without compromise on the nuclide identification or activity measurement capability. (authors)

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2015

Heavy atom vibrational modes and low-energy vibrational autodetachment in nitromethane anions

We report infrared spectra of nitromethane anion, CH{sub 3}NO{sub 2}{sup −}, in the region 700–2150 cm{sup −1}, obtained by Ar predissociation spectroscopy and electron detachment spectroscopy. The data are interpreted in the framework of second-order vibrational perturbation theory based on coupled-cluster electronic structure calculations. The modes in the spectroscopic region studied here are mainly based on vibrations involving the heavier atoms; this work complements earlier studies on nitromethane anion that focused on the CH stretching region of the spectrum. Electron detachment begins at photon energies far below the adiabatic electron affinity due to thermal population of excited vibrational states.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2013

Chemical reaction versus vibrational quenching in low energy collisions of vibrationally excited OH with O

Quantum scattering calculations are reported for state-to-state vibrational relaxation and reactive scattering in O + OH(v = 2 − 3, j = 0) collisions on the electronically adiabatic ground state {sup 2}A′′ potential energy surface of the HO{sub 2} molecule. The time-independent Schrödinger equation in hyperspherical coordinates is solved to determine energy dependent probabilities and cross sections over collision energies ranging from ultracold to 0.35 eV and for total angular momentum quantum number J = 0. A J-shifting approximation is then used to compute initial state selected reactive rate coefficients in the temperature range T = 1 − 400 K. Results are found to be in reasonable agreement with available quasiclassical trajectory calculations. Results indicate that rate coefficients for O{sub 2} formation increase with increasing the OH vibrational level except at low and ultralow temperatures where OH(v = 0) exhibits a slightly different trend. It is found that vibrational relaxation of OH in v = 2 and v = 3 vibrational levels is dominated by a multi-quantum process.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

The critical role of ultra-low-energy vibrations in the relaxation dynamics of molecular qubits

Improving the performance of molecular qubits is a fundamental milestone towards unleashing the power of molecular magnetism in the second quantum revolution. Taming spin relaxation and decoherence due to vibrations is crucial to reach this milestone, but this is hindered by our lack of understanding on the nature of vibrations and their coupling to spins. Here we propose a synergistic approach to study a prototypical molecular qubit. It combines inelastic X-ray scattering to measure phonon dispersions along the main symmetry directions of the crystal and spin dynamics simulations based on DFT. We show that the canonical Debye picture of lattice dynamics breaks down and that intra-molecular vibrations with very-low energies of 1-2 meV are largely responsible for spin relaxation up to ambient temperature. We identify the origin of these modes, thus providing a rationale for improving spin coherence. The power and flexibility of our approach open new avenues for the investigation of magnetic molecules with the potential of removing roadblocks toward their use in quantum devices.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

The origin of unequal bond lengths in the C 1 B 2 state of SO 2 : Signatures of high-lying potential energy surface crossings in the low-lying vibrational structure

Here the C 1 B 2 state of SO 2 has a double-minimum potential in the antisymmetric stretch coordinate, such that the minimum energy geometry has nonequivalent SO bond lengths. The asymmetry in the potential energy surface is expressed as a staggering in the energy levels of the v' 3 progression. We have recently made the first observation of low-lying levels with odd quanta of v' 3 , which allows us--in the current work--to characterize the origins of the level staggering. Our work demonstrates the usefulness of low-lying vibrational level structure, where the character of the wavefunctions can be relatively easily understood, to extract information about dynamically important potential energy surface crossings that occur at much higher energy. The measured staggering pattern is consistent with a vibronic coupling model for the double-minimum, which involves direct coupling to the bound 2 1 A 1 state and indirect coupling with the repulsive 3 1 A 1 state. The degree of staggering in the v' 3 levels increases with quanta of bending excitation, which is consistent with the approach along the C state potential energy surface to a conical intersection with the 2 1 A 1 surface at a bond angle of ~145°.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2019

An ab initio based full-dimensional potential energy surface for OH + O 2 ⮂ HO 3 and low-lying vibrational levels of HO 3

To offer an in-depth understanding of the HO 3 radical and its dissociation to OH + O 2 , a six-dimensional potential energy surface (PES) has been constructed by fitting 2087 energy points for the electronic ground state of HO 3 (X 2 A") using the permutation invariant polynomial-neural network (PIP-NN) approach. The energy points were calculated using an explicitly-correlated and Davidson-corrected multi-reference configuration interaction approach with the correlation-consistent polarized valence double zeta basis (MRCI( Q )-F12/VDZ-F12). On the PES, the trans -HO 3 isomer is found to be the global minimum, 33.0 cm -1 below the cis -HO 3 conformer, which is consistent with previous high-level theoretical investigations. The dissociation to the OH + O 2 asymptote from both conformers is shown to be barrierless. As a benchmark from a recently developed high-accuracy thermochemistry protocol, D 0 for trans -HO 3 is calculated to be 2.29 ± 0.36 kcal mol -1 , only slightly deeper than the value of 2.08 kcal mol -1 obtained using the PES, and in reasonable agreement with the experimentally estimated value of 2.93 ± 0.07 kcal mol -1 . Using this PES, low-lying vibrational energy levels of HO 3 are determined using an exact quantum Hamiltonian and compared with available experimental results.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Note: A kinematic shaker system for high amplitude, low frequency vibration testing

This note describes a shaker system capable of high peak-velocity, large amplitude, low frequency, near-sinusoidal excitation that has been constructed and employed in experiments on the inhibition of Rayleigh-Bénard convection using acceleration modulation. The production of high peak-velocity vibration is of interest in parametric excitation problems of this type and reaches beyond the capabilities of standard electromagnetic shakers. The shaker system described employs a kinematic linkage to two counter-rotating flywheels, driven by a variable-speed electrical motor, producing peak-to-peak displacements of 15.24 cm to a platform mounted on two guide rails. In operation, this shaker has been demonstrated to produce peak speeds of up to 3.7 m/s without failure.

Swaminathan, Anand↗
DOE OSTI2025

Low Frequency Vibrational Modes of Two-Dimensional Lead-Free Metal Halide Double Perovskites

2D layered double perovskites of (S-MPA) 4 AgBiI 8 (MPA-AgBiI 8 ) and (S-MPA) 4 CuBiI 8 (MPA-CuBiI 8 ) (S-MPA, S-β-methylphenethylammonium) were synthesized with a hydrothermal method. The crystal structure of MPA-AgBiI 8 was determined using single-crystal X-ray diffraction (scXRD). Powder XRD (pXRD) data suggest that the crystal structure of MPA-CuBiI 8 is more complex than that of MPA-AgBiI 8 . UV-Vis electronic absorption spectra of these perovskites reveal a bandgap of 2.03 eV for both. Short exciton lifetime from time-resolved photoluminescence (TRPL) results and low PL intensity of the Cu-based perovskite suggest a high density of trap states within the bandgap. Low frequency Raman spectra of both materials show distinct peaks and a slightly higher frequency for the Cu-based perovskite than the Ag-based perovskite. Density functional theory (DFT) calculations were conducted to simulate the low frequency Raman spectra and help explain the different phonon modes, which are collective vibrations of metal halide bond bending and stretching within the Ag- and Cu-centered octahedra coupled with MPA libration and twisting within the inorganic layer. The DFT theory also quantified octahedral distortions in the two perovskites. Furthermore, this combined experimental and computational study provides new insights into the low frequency vibrations of 2D perovskites.

Halogens↗
DOE OSTI2015

Low frequency vibration induced streaming in a Hele-Shaw cell

When an acoustic wave propagates in a fluid, it can generate a second order flow whose characteristic time is much longer than the period of the wave. Within a range of frequency between ten and several hundred Hz, a relatively simple and versatile way to generate streaming flow is to put a vibrating object in the fluid. The flow develops vortices in the viscous boundary layer located in the vicinity of the source of vibrations, leading in turn to an outer irrotational streaming called Rayleigh streaming. Because the flow originates from non-linear time-irreversible terms of the Navier-Stokes equation, this phenomenon can be used to generate efficient mixing at low Reynolds number, for instance in confined geometries. Here, we report on an experimental study of such streaming flow induced by a vibrating beam in a Hele-Shaw cell of 2 mm span using long exposure flow visualization and particle-image velocimetry measurements. Our study focuses especially on the effects of forcing frequency and amplitude on flow dynamics. It is shown that some features of this flow can be predicted by simple scaling arguments and that this vibration-induced streaming facilitates the generation of vortices.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Raytheon's next generation compact inline cryocooler architecture

Since the 1970s, Raytheon has developed, built, tested and integrated high performance cryocoolers. Our versatile designs for single and multi-stage cryocoolers provide reliable operation for temperatures from 10 to 200 Kelvin with power levels ranging from 50 W to nearly 600 W. These advanced cryocoolers incorporate clearance seals, flexure suspensions, hermetic housings and dynamic balancing to provide long service life and reliable operation in all relevant environments. Today, sensors face a multitude of cryocooler integration challenges such as exported disturbance, efficiency, scalability, maturity, and cost. As a result, cryocooler selection is application dependent, oftentimes requiring extensive trade studies to determine the most suitable architecture. To optimally meet the needs of next generation passive IR sensors, the Compact Inline Raytheon Stirling 1-Stage (CI-RS1), Compact Inline Raytheon Single Stage Pulse Tube (CI-RP1) and Compact Inline Raytheon Hybrid Stirling/Pulse Tube 2-Stage (CI-RSP2) cryocoolers are being developed to satisfy this suite of requirements. This lightweight, compact, efficient, low vibration cryocooler combines proven 1-stage (RS1 or RP1) and 2-stage (RSP2) cold-head architectures with an inventive set of warm-end mechanisms into a single cooler module, allowing the moving mechanisms for the compressor and the Stirling displacer to be consolidated onto a common axis and in a common working volume. The CI cryocooler is a significant departure from the current Stirling cryocoolers in which the compressor mechanisms are remote from the Stirling displacer mechanism. Placing all of the mechanisms in a single volume and on a single axis provides benefits in terms of package size (30% reduction), mass (30% reduction), thermodynamic efficiency (>20% improvement) and exported vibration performance (≤25 mN peak in all three orthogonal axes at frequencies from 1 to 500 Hz). The main benefit of axial symmetry is that proven balancing techniques and hardware can be utilized to null all motion along the common axis. Low vibration translates to better sensor performance resulting in simpler, more direct mechanical mounting configurations, eliminating the need for convoluted, expensive, massive, long lead damping hardware.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗